2-[(2,3-dimethylphenyl)amino]benzoate; 1-methylpyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(2,3-dimethylphenyl)amino]benzoate; 1-methylpyridin-1-ium-3-carboxamide Openeye Name: 2-(2,3-dimethylanilino)benzoate; 1-methylpyridin-1-ium-3-carboxamide CAS Name: 2-(2,3-dimethylanilino)benzoate; 1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(2,3-dimethylanilino)benzoate; 1-methylpyridin-1-ium-3-carboxamide Traditional Name: 2-(2,3-dimethylanilino)benzoate; 1-methylpyridin-1-ium-3-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.C[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.C[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C15H15NO2.C7H8N2O/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;1-9-4-2-3-6(5-9)7(8)10/h3-9,16H,1-2H3,(H,17,18);2-5H,1H3,(H-,8,10)